butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H35N7O2 — CID 142523548

IUPACbutane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC.CNc1cc(-c2c[nH]c3ncccc23)nc2c(C(N)=O)cnn12.COC1CCCC1
InChIInChI=1S/C15H13N7O.C6H12O.C4H10/c1-17-12-5-11(9-6-19-14-8(9)3-2-4-18-14)21-15-10(13(16)23)7-20-22(12)15;1-7-6-4-2-3-5-6;1-3-4-2/h2-7,17H,1H3,(H2,16,23)(H,18,19);6H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyJADNSNYNFQNWHE-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.80
Rot. Bonds5

About butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523548) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Namebutane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142523548
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Namebutane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC.CNc1cc(-c2c[nH]c3ncccc23)nc2c(C(N)=O)cnn12.COC1CCCC1
InChIInChI=1S/C15H13N7O.C6H12O.C4H10/c1-17-12-5-11(9-6-19-14-8(9)3-2-4-18-14)21-15-10(13(16)23)7-20-22(12)15;1-7-6-4-2-3-5-6;1-3-4-2/h2-7,17H,1H3,(H2,16,23)(H,18,19);6H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyJADNSNYNFQNWHE-UHFFFAOYSA-N
XLogP4.80
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523548) is butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCC.CNc1cc(-c2c[nH]c3ncccc23)nc2c(C(N)=O)cnn12.COC1CCCC1.
What is the InChIKey of butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JADNSNYNFQNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O.C6H12O.C4H10/c1-17-12-5-11(9-6-19-14-8(9)3-2-4-18-14)21-15-10(13(16)23)7-20-22(12)15;1-7-6-4-2-3-5-6;1-3-4-2/h2-7,17H,1H3,(H2,16,23)(H,18,19);6H,2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).